(E)-3-(4-tert-butylphenyl)-1-(4-methyl-1,4-diazepan-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-tert-butylphenyl)-1-(4-methyl-1,4-diazepan-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-tert-butylphenyl)-1-(4-methyl-1,4-diazepan-1-yl)prop-2-en-1-one CAS Name: (E)-3-(4-tert-butylphenyl)-1-(4-methyl-1,4-diazepan-1-yl)-2-propen-1-one IUPAC Name: (E)-3-(4-tert-butylphenyl)-1-(4-methyl-1,4-diazepan-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-tert-butylphenyl)-1-(4-methyl-1,4-diazepan-1-yl)prop-2-en-1-one Formula: C19H28N2O MolecularWeight: 300.43842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=CC(=O)N2CCCN(CC2)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)N2CCCN(CC2)C

InChI

InChI=1S/C19H28N2O/c1-19(2,3)17-9-6-16(7-10-17)8-11-18(22)21-13-5-12-20(4)14-15-21/h6-11H,5,12-15H2,1-4H3/b11-8+